| SpectraBase Compound ID | 6OTOmzJNmbv |
|---|---|
| InChI | InChI=1S/C16H11N5O/c1-9-4-10(2)14(11(3)5-9)15-20-16(22-21-15)13(8-19)12(6-17)7-18/h4-5H,1-3H3 |
| InChIKey | GPNVSYGWHFYIJR-UHFFFAOYSA-N |
| Mol Weight | 289.3 g/mol |
| Molecular Formula | C16H11N5O |
| Exact Mass | 289.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29zRHU8OwAU |
|---|---|
| Name | 2-(3-Mesityl-1,2,4-oxadiazol-5-yl)-1,1,2-ethentricarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.096359993 u |
| Formula | C16H11N5O |
| InChI | InChI=1S/C16H11N5O/c1-9-4-10(2)14(11(3)5-9)15-20-16(22-21-15)13(8-19)12(6-17)7-18/h4-5H,1-3H3 |
| InChIKey | GPNVSYGWHFYIJR-UHFFFAOYSA-N |
| SMILES | C=1(N=C(ON1)C(=C(C#N)C#N)C#N)C=1C(=CC(=CC1C)C)C |